N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide

C13H23N3O2 — CID 80594712

IUPACN'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
SMILESCC1CCCN(C(=O)C2(C(N)=NO)CCC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10-4-2-8-16(9-5-10)12(17)13(6-3-7-13)11(14)15-18/h10,18H,2-9H2,1H3,(H2,14,15)
InChIKeyPJSUQFLWWYTARW-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.55
Rot. Bonds2

About N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide

N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide (PubChem CID 80594712) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
PubChem CID80594712
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
SMILESCC1CCCN(C(=O)C2(C(N)=NO)CCC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10-4-2-8-16(9-5-10)12(17)13(6-3-7-13)11(14)15-18/h10,18H,2-9H2,1H3,(H2,14,15)
InChIKeyPJSUQFLWWYTARW-UHFFFAOYSA-N
XLogP1.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77024798
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908
N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 76921050
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594068
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76939914
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
CID 104937510

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide (CID 80594712) is N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide is CC1CCCN(C(=O)C2(C(N)=NO)CCC2)CC1.
What is the InChIKey of N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide?
The InChIKey is PJSUQFLWWYTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-4-2-8-16(9-5-10)12(17)13(6-3-7-13)11(14)15-18/h10,18H,2-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide?
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide has a molecular weight of 253.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide is sourced from PubChem (CID 80594712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).